CID 64981658

2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H9NO3S
SMILES
C1CC(OC1)C2=NC=C(S2)C(=O)O
InChI
InChI=1S/C8H9NO3S/c10-8(11)6-4-9-7(13-6)5-2-1-3-12-5/h4-5H,1-3H2,(H,10,11)
InChIKey
MEPUJIXKIDJYNN-UHFFFAOYSA-N
Compound name
2-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

199.03032 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03760 141.6
[M+Na]+ 222.01954 150.5
[M+NH4]+ 217.06414 149.3
[M+K]+ 237.99348 148.4
[M-H]- 198.02304 143.8
[M+Na-2H]- 220.00499 144.7
[M]+ 199.02977 143.6
[M]- 199.03087 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe